4-(6-amino-2-pyridinyl)-1,4-diazepan-2-one

C10H14N4O — CID 80651918

IUPAC4-(6-amino-2-pyridinyl)-1,4-diazepan-2-one
SMILESNc1cccc(N2CCCNC(=O)C2)n1
InChIInChI=1S/C10H14N4O/c11-8-3-1-4-9(13-8)14-6-2-5-12-10(15)7-14/h1,3-4H,2,5-7H2,(H2,11,13)(H,12,15)
InChIKeyGKBORHCLFUIBKZ-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.01
Rot. Bonds1

About 4-(6-amino-2-pyridinyl)-1,4-diazepan-2-one

4-(6-amino-2-pyridinyl)-1,4-diazepan-2-one (PubChem CID 80651918) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-(6-amino-2-pyridinyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(6-amino-2-pyridinyl)-1,4-diazepan-2-one
PubChem CID80651918
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name4-(6-amino-2-pyridinyl)-1,4-diazepan-2-one
SMILESNc1cccc(N2CCCNC(=O)C2)n1
InChIInChI=1S/C10H14N4O/c11-8-3-1-4-9(13-8)14-6-2-5-12-10(15)7-14/h1,3-4H,2,5-7H2,(H2,11,13)(H,12,15)
InChIKeyGKBORHCLFUIBKZ-UHFFFAOYSA-N
XLogP-0.01
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2-pyridinyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(6-amino-2-pyridinyl)-1,4-diazepan-2-one (CID 80651918) is 4-(6-amino-2-pyridinyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(6-amino-2-pyridinyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(6-amino-2-pyridinyl)-1,4-diazepan-2-one is Nc1cccc(N2CCCNC(=O)C2)n1.
What is the InChIKey of 4-(6-amino-2-pyridinyl)-1,4-diazepan-2-one?
The InChIKey is GKBORHCLFUIBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c11-8-3-1-4-9(13-8)14-6-2-5-12-10(15)7-14/h1,3-4H,2,5-7H2,(H2,11,13)(H,12,15).
What are the key properties of 4-(6-amino-2-pyridinyl)-1,4-diazepan-2-one?
4-(6-amino-2-pyridinyl)-1,4-diazepan-2-one has a molecular weight of 206.25 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-2-pyridinyl)-1,4-diazepan-2-one is sourced from PubChem (CID 80651918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).